N-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-1-cyclopropyl-piperidin-4-amine

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-1-cyclopropyl-piperidin-4-amine Openeye Name: N-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-1-cyclopropyl-piperidin-4-amine CAS Name: N-[4-(1-azepanylsulfonyl)-2-nitrophenyl]-1-cyclopropyl-4-piperidinamine IUPAC Name: N-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]-1-cyclopropylpiperidin-4-amine Traditional Name: [4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-(1-cyclopropyl-4-piperidyl)amine Formula: C20H30N4O4S MolecularWeight: 422.5416

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC3CCN(CC3)C4CC4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC3CCN(CC3)C4CC4)[N+](=O)[O-]

InChI

InChI=1S/C20H30N4O4S/c25-24(26)20-15-18(29(27,28)23-11-3-1-2-4-12-23)7-8-19(20)21-16-9-13-22(14-10-16)17-5-6-17/h7-8,15-17,21H,1-6,9-14H2