1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-[(2-nitrophenyl)amino]propan-1-one

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-[(2-nitrophenyl)amino]propan-1-one Openeye Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(2-nitroanilino)propan-1-one CAS Name: 1-[4-(1-azepanylsulfonyl)-1-piperazinyl]-3-(2-nitroanilino)-1-propanone IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(2-nitroanilino)propan-1-one Traditional Name: 1-[4-(azepan-1-ylsulfonyl)piperazino]-3-(2-nitroanilino)propan-1-one Formula: C19H29N5O5S MolecularWeight: 439.52906

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)CCNC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)CCNC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H29N5O5S/c25-19(9-10-20-17-7-3-4-8-18(17)24(26)27)21-13-15-23(16-14-21)30(28,29)22-11-5-1-2-6-12-22/h3-4,7-8,20H,1-2,5-6,9-16H2