N-[5-[bis(azanyl)methylideneamino]-1-[(4-nitrophenyl)amino]-1-oxidanylidene-pentan-2-yl]-1-[2-[(4-methylphenyl)sulfonylamino]ethanoyl]pyrrolidine-2-carboxamide

Systemtic Name: N-[5-[bis(azanyl)methylideneamino]-1-[(4-nitrophenyl)amino]-1-oxidanylidene-pentan-2-yl]-1-[2-[(4-methylphenyl)sulfonylamino]ethanoyl]pyrrolidine-2-carboxamide Openeye Name: N-[4-guanidino-1-[(4-nitrophenyl)carbamoyl]butyl]-1-[2-(p-tolylsulfonylamino)acetyl]pyrrolidine-2-carboxamide CAS Name: N-[5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]-1-[2-[(4-methylphenyl)sulfonylamino]-1-oxoethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]-1-[2-[(4-methylphenyl)sulfonylamino]acetyl]pyrrolidine-2-carboxamide Traditional Name: N-[4-guanidino-1-[(4-nitrophenyl)carbamoyl]butyl]-1-[2-(tosylamino)acetyl]pyrrolidine-2-carboxamide Formula: C26H34N8O7S MolecularWeight: 602.66256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)N2CCCC2C(=O)NC(CCCN=C(N)N)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)N2CCCC2C(=O)NC(CCCN=C(N)N)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C26H34N8O7S/c1-17-6-12-20(13-7-17)42(40,41)30-16-23(35)33-15-3-5-22(33)25(37)32-21(4-2-14-29-26(27)28)24(36)31-18-8-10-19(11-9-18)34(38)39/h6-13,21-22,30H,2-5,14-16H2,1H3,(H,31,36)(H,32,37)(H4,27,28,29)