(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone

Systemtic Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone Openeye Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone CAS Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-[3-nitro-4-(1-pyrrolidinyl)phenyl]methanone IUPAC Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(3-nitro-4-pyrrolidin-1-ylphenyl)methanone Traditional Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(3-nitro-4-pyrrolidino-phenyl)methanone Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O3S/c1-15-10-13-23(18-6-2-3-7-20(18)28-15)21(25)16-8-9-17(19(14-16)24(26)27)22-11-4-5-12-22/h2-3,6-9,14-15H,4-5,10-13H2,1H3