[4-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]piperazin-1-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]piperazin-1-yl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-phenyl]piperazin-1-yl]-pyrrolidin-1-yl-methanone CAS Name: [4-[4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitrophenyl]-1-piperazinyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitrophenyl]piperazin-1-yl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[4-(4-methylpiperidino)sulfonyl-2-nitro-phenyl]piperazino]-pyrrolidino-methanone Formula: C21H31N5O5S MolecularWeight: 465.56634

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H31N5O5S/c1-17-6-10-25(11-7-17)32(30,31)18-4-5-19(20(16-18)26(28)29)22-12-14-24(15-13-22)21(27)23-8-2-3-9-23/h4-5,16-17H,2-3,6-15H2,1H3