N-[4-(azepan-1-ylsulfonyl)phenyl]-3-[(4-nitrophenyl)sulfonylamino]propanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-[(4-nitrophenyl)sulfonylamino]propanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-[(4-nitrophenyl)sulfonylamino]propanamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-3-[(4-nitrophenyl)sulfonylamino]propanamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-[(4-nitrophenyl)sulfonylamino]propanamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(nosylamino)propionamide Formula: C21H26N4O7S2 MolecularWeight: 510.58374

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCNS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCNS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O7S2/c26-21(13-14-22-33(29,30)19-11-7-18(8-12-19)25(27)28)23-17-5-9-20(10-6-17)34(31,32)24-15-3-1-2-4-16-24/h5-12,22H,1-4,13-16H2,(H,23,26)