1-[(4-methylcyclohexyl)amino]-3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propan-2-ol

Systemtic Name: 1-[(4-methylcyclohexyl)amino]-3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propan-2-ol Openeye Name: 1-[(4-methylcyclohexyl)amino]-3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propan-2-ol CAS Name: 1-[(4-methylcyclohexyl)amino]-3-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]-2-propanol IUPAC Name: 1-[(4-methylcyclohexyl)amino]-3-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)propan-2-ol Traditional Name: 1-[(4-methylcyclohexyl)amino]-3-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)propan-2-ol Formula: C20H31N3O6S MolecularWeight: 441.54164

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NCC(COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])O

Isomeric SMILES

CC1CCC(CC1)NCC(COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])O

InChI

InChI=1S/C20H31N3O6S/c1-15-4-6-16(7-5-15)21-13-17(24)14-29-20-9-8-18(12-19(20)23(25)26)30(27,28)22-10-2-3-11-22/h8-9,12,15-17,21,24H,2-7,10-11,13-14H2,1H3